Molecule ID: mol28247

SMILES: OCCN(CCO)c1ccc(S)cc1

InChI: InChI=1S/C10H15NO2S/c12-7-5-11(6-8-13)9-1-3-10(14)4-2-9/h1-4,12-14H,5-8H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.00 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization